N'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide

C16H18N2O2 — CID 43111282

IUPACN'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide
SMILESCC(C)c1cccc(Oc2ccc(/C(N)=N/O)cc2)c1
InChIInChI=1S/C16H18N2O2/c1-11(2)13-4-3-5-15(10-13)20-14-8-6-12(7-9-14)16(17)18-19/h3-11,19H,1-2H3,(H2,17,18)
InChIKeyRVXGKTWLYMEYGT-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.70
Rot. Bonds4

About N'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide

N'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide (PubChem CID 43111282) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide
PubChem CID43111282
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide
SMILESCC(C)c1cccc(Oc2ccc(/C(N)=N/O)cc2)c1
InChIInChI=1S/C16H18N2O2/c1-11(2)13-4-3-5-15(10-13)20-14-8-6-12(7-9-14)16(17)18-19/h3-11,19H,1-2H3,(H2,17,18)
InChIKeyRVXGKTWLYMEYGT-UHFFFAOYSA-N
XLogP3.70
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
CID 91869714
CID 91869714
N'-hydroxy-2-(3-propan-2-ylphenoxy)pyrimidine-4-carboximidamide
CID 136907170
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
3-bromo-N'-hydroxy-4-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 82786360
N'-hydroxy-4-[(3-propan-2-ylanilino)methyl]benzenecarboximidamide
CID 77029366
4-[3-amino-5-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]phenoxy]-N'-hydroxybenzenecarboximidamide
CID 87574257
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188257
4-(3,5-dichlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43621964

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide (CID 43111282) is N'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide is CC(C)c1cccc(Oc2ccc(/C(N)=N/O)cc2)c1.
What is the InChIKey of N'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide?
The InChIKey is RVXGKTWLYMEYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(2)13-4-3-5-15(10-13)20-14-8-6-12(7-9-14)16(17)18-19/h3-11,19H,1-2H3,(H2,17,18).
What are the key properties of N'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide?
N'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide has a molecular weight of 270.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-propan-2-ylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 43111282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).